1-(3-iodobutyl)-1-methylhydrazine

C5H13IN2 — CID 87084809

IUPAC1-(3-iodobutyl)-1-methylhydrazine
SMILESCC(I)CCN(C)N
InChIInChI=1S/C5H13IN2/c1-5(6)3-4-8(2)7/h5H,3-4,7H2,1-2H3
InChIKeyOLRZJSQPOQXKOB-UHFFFAOYSA-N
MW228.08 g/mol
LogP1.01
Rot. Bonds3

About 1-(3-iodobutyl)-1-methylhydrazine

1-(3-iodobutyl)-1-methylhydrazine (PubChem CID 87084809) has the molecular formula C5H13IN2 and a molecular weight of 228.08 g/mol. Its IUPAC name is 1-(3-iodobutyl)-1-methylhydrazine.

Molecular Properties

Compound Name1-(3-iodobutyl)-1-methylhydrazine
PubChem CID87084809
Molecular FormulaC5H13IN2
Molecular Weight228.08 g/mol
Exact Mass228.01
IUPAC Name1-(3-iodobutyl)-1-methylhydrazine
SMILESCC(I)CCN(C)N
InChIInChI=1S/C5H13IN2/c1-5(6)3-4-8(2)7/h5H,3-4,7H2,1-2H3
InChIKeyOLRZJSQPOQXKOB-UHFFFAOYSA-N
XLogP1.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-iodobutyl)-1-methylhydrazine?
The IUPAC name of 1-(3-iodobutyl)-1-methylhydrazine (CID 87084809) is 1-(3-iodobutyl)-1-methylhydrazine.
What is the SMILES notation for 1-(3-iodobutyl)-1-methylhydrazine?
The canonical SMILES for 1-(3-iodobutyl)-1-methylhydrazine is CC(I)CCN(C)N.
What is the InChIKey of 1-(3-iodobutyl)-1-methylhydrazine?
The InChIKey is OLRZJSQPOQXKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13IN2/c1-5(6)3-4-8(2)7/h5H,3-4,7H2,1-2H3.
What are the key properties of 1-(3-iodobutyl)-1-methylhydrazine?
1-(3-iodobutyl)-1-methylhydrazine has a molecular weight of 228.08 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodobutyl)-1-methylhydrazine is sourced from PubChem (CID 87084809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).